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2-(2-Methoxyethoxy)phenylboronic Acid

CAT: 0572-TRC-M304318-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M304318-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1122568-09-5
Synonyms
B-[2-(2-Methoxyethoxy)phenyl]boronic acid;
Hazard Statement
No Data Available
Smiles
OB(O)C(C=CC=C1)=C1OCCOC
Molecular Formula
C9H13BO4
Molecular Weight
196.01
InChI
InChI=1S/C9H13BO4/c1-13-6-7-14-9-5-3-2-4-8(9)10(11)12/h2-5,11-12H,6-7H2,1H3
Additionnal Information
IUPAC name: (2-(2-methoxyethoxy)phenyl)boronic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

[2-(2-Methoxyethoxy)phenyl]boronic acid
CAS Number1122568-09-5
PubChem CID18683611
IUPAC Name[2-(2-methoxyethoxy)phenyl]boronic acid
Molecular FormulaC9H13BO4
Molecular Weight196.01
Topological Polar Surface Area58.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count14
Formal Charge0
Complexity154
SMILES
B(C1=CC=CC=C1OCCOC)(O)O
InChI
InChI=1S/C9H13BO4/c1-13-6-7-14-9-5-3-2-4-8(9)10(11)12/h2-5,11-12H,6-7H2,1H3
InChIKey
FVUUWXVSSBFFPS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [2-(2-Methoxyethoxy)phenyl]boronic acid
CAS: 1122568-09-5
CID: 18683611
Formula: C9H13BO4
MW: 196.01
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight196.01
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass196.0906891
Monoisotopic Mass196.0906891
Topological Polar Surface Area58.9 Ų
Heavy Atom Count14
Formal Charge0
Complexity154
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes